6CQ7
The SH3 domain of MLK3 in complex with poly-proline peptide derived from Htt
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-08-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 59.000, 59.000, 84.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.000 - 2.000 |
| R-factor | 0.19951 |
| Rwork | 0.196 |
| R-free | 0.25977 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5k28 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.751 |
| Data reduction software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.000 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmeas | 0.040 | 0.674 |
| Number of reflections | 10431 | |
| <I/σ(I)> | 23.56 | 2.46 |
| Completeness [%] | 98.6 | 97.6 |
| Redundancy | 7.6 | 6.2 |
| CC(1/2) | 0.999 | 0.843 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.5 M Ammonium Sulphate 0.1 M Sodium Citrate pH 5.6 1.1 M Lithium Sulphate |
